Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.48 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.44 |
| ▸ | KLKB1 known ✓ | P03952 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.54 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.54 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.54 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | CDC25B | P30305 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL49654 | 0.98 | NR4A1 (0.56) | NR4A1NR4A2NR4A3MMP3HDAC8 | |
| SCHEMBL29393451 | 0.98 | NR4A1 (0.56) | NR4A1NR4A2NR4A3MMP3HDAC8 | |
| Hydrochloric Acid SCHEMBL28498400 | 0.84 | NR4A1 (0.42) | NR4A1NR4A2NR4A3MMP3HDAC8 | |
| Hydrochloric Acid SCHEMBL2228848 | 0.81 | NR4A1 (0.48) | NR4A1NR4A2NR4A3MMP3HDAC8 | |
| SCHEMBL6956577 | 0.81 | NR4A1 (0.44) | NR4A1NR4A2NR4A3MMP3HDAC8 | |
| Hydrochloric Acid SCHEMBL16207824 | 0.81 | NR4A1 (0.48) | NR4A1NR4A2NR4A3MMP3HDAC8 | |
| Hydrochloric Acid SCHEMBL7203509 | 0.80 | L3MBTL1 (0.53) | NR4A1NR4A2NR4A3MMP3HDAC8 | |
| Hydrochloric Acid SCHEMBL30753709 | 0.80 | KDM4E (0.66) | NR4A1NR4A2NR4A3MMP3HDAC8 | |
| Hydrochloric Acid SCHEMBL29605461 | 0.80 | KDM4E (0.66) | NR4A1NR4A2NR4A3MMP3HDAC8 | |
| Hydrochloric Acid SCHEMBL3149083 | 0.80 | KDM4E (0.66) | NR4A1NR4A2NR4A3MMP3HDAC8 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113024470-B | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2022-05-24 | — | — | CN | claimed |
| CN-113024470-A | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2021-06-25 | — | — | CN | claimed |
| CN-113024470-B | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2022-05-24 | — | — | CN | disclosed |
| CN-113024470-A | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2021-06-25 | — | — | CN | disclosed |
| US-7115602-B2 | Heterocycles 3 | BAYER AKTIENGESELLSCHAFT (DE) | 2006-10-03 | — | — | US | disclosed |
| US-7087605-B2 | 5-Ethyl-imidazotriazinones | BAYER AKTIENGESELLSCHAFT (DE) | 2006-08-08 | — | — | US | disclosed |
| EP-1397363-B1 | 5-ETHYL-IMIDAZOTRIAZINONES | BAYER HEALTHCARE AG (DE) | 2005-05-11 | — | — | EP | disclosed |
| US-20050065153-A1 | Novel heterocycles 3 | BAYER AKTIENGESELLSCHAFT (DE) | 2005-03-24 | — | — | US | disclosed |
| US-20040254187-A1 | 5-ethyl-imidazotriazinones | BAYER HEALTHCARE AG (DE) | 2004-12-16 | — | — | US | disclosed |
| EP-1399447-A1 | IMIDAZOTRIAZINONES DERIVATIVES AND THEIR USE AGAINST INFLAMMATORY PROCESSES AND/OR IMMUNE DISEASES | Bayer HealthCare AG (DE) | 2004-03-24 | — | — | EP | disclosed |
| EP-1397363-A1 | 5-ETHYL-IMIDAZOTRIAZINONES | Bayer HealthCare AG (DE) | 2004-03-17 | — | — | EP | disclosed |
| US-20030139415-A1 | Novel heterocycles 3 | BAYER HEALTHCARE AKTIENGESELLSCHAFT (DE) | 2003-07-24 | — | — | US | disclosed |
| WO-2002098879-A1 | IMIDAZOTRIAZINONES DERIVATIVES AND THEIR USE AGAINST INFLAMMATORY PROCESSES AND/OR IMMUNE DISEASES | BAYER HEALTHCARE AG (DE) | 2002-12-12 | — | — | WO | disclosed |
| WO-2002098880-A1 | 5-ETHYL-IMIDAZOTRIAZINONES | BAYER HEALTHCARE AG (DE) | 2002-12-12 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030139415-A1 | Novel heterocycles 3 | NFATC1, NOD2, NFKBIA | HDAC8 654/4885GAA 3483/4885KLKB1 3242/4885 |
| US-20040254187-A1 | 5-ethyl-imidazotriazinones | EPX, TPMT, IL5 | HDAC8 1633/4885GAA 2921/4885KLKB1 2167/4885 |
| US-20050065153-A1 | Novel heterocycles 3 | NFATC1, NOD2, NFKBIA | HDAC8 654/4885GAA 3483/4885KLKB1 3242/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.